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CHEBI:83476 - simazine-2-hydroxy

ChEBI IDCHEBI:83476
ChEBI Namesimazine-2-hydroxy
Stars
DefinitionA diamino-1,3,5-triazine that is N,N'-diethyl-1,3,5-triazine-2,4-diamine substituted by a hydroxy group at position 2. It is a metabolite of the herbicide simazine.
Last Modified10 November 2014
DownloadsMolfile
FormulaC7H13N5O
Net Charge0
Average Mass183.215
Monoisotopic Mass183.11201
SMILESCCNc1nc(O)nc(NCC)n1
InChIInChI=1S/C7H13N5O/c1-3-8-5-10-6(9-4-2)12-7(13)11-5/h3-4H2,1-2H3,(H3,8,9,10,11,12,13)
InChIKeyYQIXRXMOJFQVBV-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
marine xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
simazine-2-hydroxy (CHEBI:83476) has role marine xenobiotic metabolite (CHEBI:83399)
simazine-2-hydroxy (CHEBI:83476) is a diamino-1,3,5-triazine (CHEBI:38170)
simazine-2-hydroxy (CHEBI:83476) is a heteroaryl hydroxy compound (CHEBI:74818)
IUPAC Name 
4,6-bis(ethylamino)-1,3,5-triazin-2-ol
Synonyms  Source
2-hydroxysimazineChEBI
hydroxysimazineChemIDplus
4,6-Bis(ethylamino)-s-triazin-2-olChemIDplus
Registry NumbersSources
Reaxys:611555Reaxys
CAS:2599-11-3ChemIDplus
Citations